2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide
TL;DR: 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide (CAS 500191-26-4) is a chemical compound with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-thione
Also Known As: 2-butyl-1,1-dioxo-4H-1, AP-836/41220339, 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide, 2-butyl-1,1-dioxo-1lambda6,2,4-benzothiadiazine-3-thiol
| Molecular Formula | C11H14N2O2S2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.1878 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.04968 |
| Heavy Atoms | 17 |
| Complexity | 540.15735 |
Chemical Identifiers
| CAS Number | 500191-26-4 |
|---|---|
| SMILES | CCCCN1C(=S)NC2=CC=CC=C2S1(=O)=O |
Product Overview
2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide (CAS 500191-26-4), with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol. IUPAC: 2-butyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-thione.
Chemical Property Profile of 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide
Property Insights of 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide
The XLogP value of 2.1878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide. With a topological polar surface area (TPSA) of 49.41 Ų, 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide?
The CAS number of 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide is 500191-26-4.
What is the molecular formula of 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide?
The molecular formula of 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide is C11H14N2O2S2.
What is the molecular weight of 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide?
The molecular weight of 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide is 270.05 g/mol.
Where can I buy 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide?
You can request a quote for 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.